N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide

C20H20FN3O2 — CID 113209987

IUPACN-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C20H20FN3O2/c1-12(25)23-14-5-4-6-15(10-14)24-19(26)20(2,3)17-11-22-18-8-7-13(21)9-16(17)18/h4-11,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyJYBJXWIVLXNYQJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.18
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide

N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113209987) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113209987
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C20H20FN3O2/c1-12(25)23-14-5-4-6-15(10-14)24-19(26)20(2,3)17-11-22-18-8-7-13(21)9-16(17)18/h4-11,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyJYBJXWIVLXNYQJ-UHFFFAOYSA-N
XLogP4.18
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
ethyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210009
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide (CID 113209987) is N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide is CC(=O)Nc1cccc(NC(=O)C(C)(C)c2c[nH]c3ccc(F)cc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is JYBJXWIVLXNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12(25)23-14-5-4-6-15(10-14)24-19(26)20(2,3)17-11-22-18-8-7-13(21)9-16(17)18/h4-11,22H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide?
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 353.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113209987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).